UCSF

ZINC67946857

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 9.32 -34.45 2 6 1 60 352.462 6
Hi High (pH 8-9.5) 2.56 8.69 -12.64 1 6 0 59 351.454 6
Mid Mid (pH 6-8) 2.56 10.45 -38.52 2 6 1 60 352.462 6

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.